[QE-users] configure error: Could not find required libxc library.

[Jibiao Li]

Hi, Fabrizio
Thank you so much. It works!


Jibiao Li


------------------ Original ------------------
From: "Fabrizio Ferrari"<ferrariruffino.fz at gmail.com>;
Date: Fri, Jul 3, 2020 02:33 PM
To: "Quantum ESPRESSO users Forum"<users at lists.quantum-espresso.org>;

Subject: Re: [QE-users] configure error: Could not find required libxc library.



Hi Jibiao,
please do this: 



1-configure without any libxc flag;
2-go to the make.inc file in the main folder and add the various flags to DFLAGS, IFLAGS and LD_LIBS by following the comments inside;
3-compile as usual.


This should answer to both your emails
Best regards,
Fabrizio



On Fri, Jul 3, 2020 at 5:18 AM Jibiao Li <jibiaoli at foxmail.com> wrote:

Hi, All


I have installed libxc 5.0.0 and added the path to .bashrc file (export LD_LIBRARY_PATH=/home/yons/codes/libxc-5.0.0/lib:$LD_LIBRARY_PATH). Then I tried to configure QE develop with the following commands, but it can not found the libxc library. I really have no idea about resolving this error.  Everything seems correct to me. but ...



./configure CC=gcc FC=ifort MPIF90=mpif90 --with-libxc --with-libxc-prefix=/home/yons/codes/libxc-5.0.0 --with-libxc-include=/home/yons/codes/libxc-5.0.0/include --prefix=/home/yons/codes/espresso-develop


checking whether Fortran files must be preprocessed... no
checking for library containing dgemm... -lmkl_intel_lp64
setting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
checking FFT... 
checking for libxc... no (-I/home/yons/codes/libxc-5.0.0/include -L/home/yons/codes/libxc-5.0.0/lib -lxcf90 -lxc)
configure: error: Could not find required libxc library.


Dr. Jibiao Li, 
Department of Material Science and Engineering
Yangtze Normal University
Juxian Dadao 16#, Fuling, Chongqing, China
Email: jibiaoli at yznu.edu.cn, jibiaoli at foxmail.com, jibiao.li at hotmail.com
Homepage: https://www.researchgate.net/profile/Jibiao_Li
 

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